1-[2-(4-氯苯氧基)乙基]哌啶 | 92105-39-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-[2-(4-氯苯氧基)乙基]哌啶
• 英文名称: 1-Piperidino-2-(4-chlorophenoxy)ethane
• 英文别名: 1-[2-(4-chlorophenoxy)ethyl]piperidine；Piperidine, 1-[2-(4-chlorophenoxy)ethyl]-
• CAS: 92105-39-0
• 化学式: C₁₃H₁₈ClNO
• mdl: MFCD00980331
• 分子量: 239.745
• InChiKey: CKSBIKCKBHFSFI-UHFFFAOYSA-N

物化性质

• 沸点：
  344.3±22.0 °C(Predicted)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[2-(4-氯苯氧基)乙基]哌啶 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以1.4 g的产率得到1-[2-(4-chlorophenoxy)ethyl]piperidine hydrochloride
  参考文献：
  名称：

  基于苯胺的H1N1流感病毒抑制剂对血凝素介导的融合的作用

  摘要：

  确定了两个易于获得的苯胺系列作为甲型流感病毒H1N1的抑制剂，并进行了广泛的化学合成和结构-活性关系的分析。该化合物显示可干扰由H1和H5（第1组）血凝素（HA）亚型介导的低pH诱导的膜融合。病毒抗性，HA相互作用和分子动力学模拟研究相结合，阐明了这些基于苯胺的流感融合抑制剂的结合位点，该位点与某些H3 HA特异性抑制剂所占据的口袋明显重叠，表明该腔与药物设计。

  DOI：

  10.1021/acs.jmedchem.7b00908
• 作为产物：
  描述：

  哌啶 、 1-(2-溴乙氧基)-4-氯苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 1-[2-(4-氯苯氧基)乙基]哌啶
  参考文献：
  名称：

  Topologically Controlled Coulombic Interactions, a New Tool in the Developing of Novel Reactivity. Photochemical and Electrochemical Cleavage of Phenyl Alkyl Ethers

  摘要：

  The hypothesis that a specific placement of a positive charge would dramatically alter the behavior of a charged intermediate has been tested. Phenyl ethers substituted by electron-attracting groups do not undergo reductive fragmentation. However, related alpha-piperidino-omega-(4-substituted-phenoxy)-alkanes give alkyl ether photocleavage when the linker between the redox centers is short, or the usual substitution-reduction photochemistry when it is long. Mechanistic experiments suggest that the photofragmentation process operates through space intramolecular electron transfer to the triplet aromatic chromophore and that a coplanar relative orientation of the alkyl ether bond and the phenyl ring is compulsory for the photofragmentation to be observed. Configuration interaction AM1 calculations justify the described facts, indicating that the fragmentation process is only operative when a Coulombic stabilization of a sigma* intramolecular electron transfer excited state is produced. Electrochemical studies carried out with the corresponding quaternary salts (intermolecular generation of the phenyl ether radical anion) confirm the conclusions derived from the photochemical experiments.

  DOI：

  10.1021/jo00117a037

文献信息

• Pyrazolopyridines and pyrazolopyridazines as antidabetics
  申请人：——

  公开号：US20040019052A1

  公开（公告）日：2004-01-29

  The present invention includes compound of formula (I), 1 or a derivative thereof, wherein Y is CH or N; R 1 is unsubstituted or substituted alkyl, unsubstituted or substituted cycloalkyl, unsubstituted or substituted alkenyl, unsubstituted or substituted cycloalkenyl, unsubstituted or substituted aryl, aralkyl wherein the aryl and the alkyl moieties may each independently be unsubstituted or substituted, aralkenyl wherein the aryl, and alkenyl moieties may each independently be unsubstituted or substituted, unsubstituted or substituted heterocyclyl, or heterocyclylalkyl wherein the heterocyclyl and the alkyl moieties may each independently be unsubstituted or substituted; and R 2 is unsubstituted aryl or unsubstituted or substituted or substituted heteroaryl. Additionally the present invention includes a process for preparing such a compound, a pharmaceutical composition containing such a compound, and the use of such a compound in medicine.

  本发明包括式(I)的化合物或其衍生物，其中Y是CH或N；R1是未取代或取代的烷基，未取代或取代的环烷基，未取代或取代的烯基，未取代或取代的环烯基，未取代或取代的芳基，芳基烷基，其中芳基和烷基基团各自可以独立地未取代或取代，芳基烯基，其中芳基和烯基基团各自可以独立地未取代或取代，未取代或取代的杂环基，或杂环基烷基，其中杂环基和烷基基团各自可以独立地未取代或取代；以及R2是未取代的芳基或未取代或取代的杂芳基。此外，本发明还包括制备这种化合物的方法，含有这种化合物的药物组合物，以及这种化合物在医学上的用途。
• PPAR ACTIVATORS
  申请人：Bagley W. Scott

  公开号：US20070191429A1

  公开（公告）日：2007-08-16

  PPAR alpha activators, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans.

  PPAR alpha激动剂，含有这种化合物的制药组合物以及使用这种化合物提高某些血浆脂质水平，包括高密度脂蛋白胆固醇和降低某些其他血浆脂质水平，如低密度脂蛋白胆固醇和三酰甘油，因此治疗低密度脂蛋白胆固醇和/或高三酰甘油水平加重的疾病，例如动脉粥样硬化和心血管疾病，在哺乳动物，包括人类中使用。
• Aniline-Based Inhibitors of Influenza H1N1 Virus Acting on Hemagglutinin-Mediated Fusion
  作者：Rosana Leiva、Marta Barniol-Xicota、Sandra Codony、Tiziana Ginex、Evelien Vanderlinden、Marta Montes、Michael Caffrey、F. Javier Luque、Lieve Naesens、Santiago Vázquez

  DOI：10.1021/acs.jmedchem.7b00908

  日期：2018.1.11

  Two series of easily accessible anilines were identified as inhibitors of influenza A virus subtype H1N1, and extensive chemical synthesis and analysis of the structure–activity relationship were performed. The compounds were shown to interfere with low pH-induced membrane fusion mediated by the H1 and H5 (group 1) hemagglutinin (HA) subtypes. A combination of virus resistance, HA interaction, and

  确定了两个易于获得的苯胺系列作为甲型流感病毒H1N1的抑制剂，并进行了广泛的化学合成和结构-活性关系的分析。该化合物显示可干扰由H1和H5（第1组）血凝素（HA）亚型介导的低pH诱导的膜融合。病毒抗性，HA相互作用和分子动力学模拟研究相结合，阐明了这些基于苯胺的流感融合抑制剂的结合位点，该位点与某些H3 HA特异性抑制剂所占据的口袋明显重叠，表明该腔与药物设计。
• Topologically Controlled Coulombic Interactions, a New Tool in the Developing of Novel Reactivity. Photochemical and Electrochemical Cleavage of Phenyl Alkyl Ethers
  作者：Jorge Marquet、Eduard Cayon、Xavier Martin、Francisco Casado、Iluminada Gallardo、Miquel Moreno、Jose M. Lluch

  DOI：10.1021/jo00117a037

  日期：1995.6

  The hypothesis that a specific placement of a positive charge would dramatically alter the behavior of a charged intermediate has been tested. Phenyl ethers substituted by electron-attracting groups do not undergo reductive fragmentation. However, related alpha-piperidino-omega-(4-substituted-phenoxy)-alkanes give alkyl ether photocleavage when the linker between the redox centers is short, or the usual substitution-reduction photochemistry when it is long. Mechanistic experiments suggest that the photofragmentation process operates through space intramolecular electron transfer to the triplet aromatic chromophore and that a coplanar relative orientation of the alkyl ether bond and the phenyl ring is compulsory for the photofragmentation to be observed. Configuration interaction AM1 calculations justify the described facts, indicating that the fragmentation process is only operative when a Coulombic stabilization of a sigma* intramolecular electron transfer excited state is produced. Electrochemical studies carried out with the corresponding quaternary salts (intermolecular generation of the phenyl ether radical anion) confirm the conclusions derived from the photochemical experiments.